C,1,51.23,s,
O,2,,,
C,3,168.57,s,
O,4,,,
C,5,92.77,s,
C,6,167.77,s,
N,7,,,
C,8,144.53,s,
C,9,110.57,s,
C,10,128.5,s,
C,11,121.8,s,
C,12,121.9,s,
C,13,138.17,s,
C,14,57.5,s,
C,15,46.0,s,
C,16,51.17,s,
N,17,,,
C,18,53.05,s,
C,19,20.97,s,
C,20,35.28,s,
C,21,41.86,s,
C,22,74.43,s,
C,23,18.01,s,
O,24,,,
C,25,42.24,s,
C,26,71.28,s,
H,27,3.75,s,
H,28,3.75,s,
H,29,3.75,s,
H,30,,,
H,31,6.85,ddd,"8.0,1.4,0.5"
H,32,7.13,ddd,"8.0,7.5,1.4"
H,33,6.86,ddd,"7.5,6.4,1.4"
H,34,7.22,ddd,"6.4,1.4,0.5"
H,35,1.62,ddd,"12.4,10.4,1.7"
H,36,1.62,ddd,"12.4,9.6,8.1"
H,37,2.89,ddd,"9.6,9.4,1.7"
H,38,2.89,ddd,"10.4,9.4,8.1"
H,39,2.81,ddd,"12.4,12.2,5.7"
H,40,2.81,ddd,"12.4,5.4,1.9"
H,41,1.61,m,
H,42,1.61,m,
H,43,1.72,ddd,"12.4,4.9,2.4"
H,44,1.72,ddd,"12.9,12.4,5.5"
H,45,4.52,q,6.2
H,46,1.11,d,6.2
H,47,1.11,d,6.2
H,48,1.11,d,6.2
H,49,,,
H,50,2.81,s,
H,51,2.81,s,
H,52,2.78,s,
